2-[2-[1,2-bis(4-methylphenyl)ethenyl]phenyl]naphthalene

C32H26 — CID 91510166

IUPAC2-[2-[1,2-bis(4-methylphenyl)ethenyl]phenyl]naphthalene
SMILESCc1ccc(C=C(c2ccc(C)cc2)c2ccccc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C32H26/c1-23-11-15-25(16-12-23)21-32(27-17-13-24(2)14-18-27)31-10-6-5-9-30(31)29-20-19-26-7-3-4-8-28(26)22-29/h3-22H,1-2H3
InChIKeyUATZBLOKMODNIH-UHFFFAOYSA-N
MW410.56 g/mol
LogP8.71
Rot. Bonds4

About 2-[2-[1,2-bis(4-methylphenyl)ethenyl]phenyl]naphthalene

2-[2-[1,2-bis(4-methylphenyl)ethenyl]phenyl]naphthalene (PubChem CID 91510166) has the molecular formula C32H26 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[2-[1,2-bis(4-methylphenyl)ethenyl]phenyl]naphthalene.

Molecular Properties

Compound Name2-[2-[1,2-bis(4-methylphenyl)ethenyl]phenyl]naphthalene
PubChem CID91510166
Molecular FormulaC32H26
Molecular Weight410.56 g/mol
Exact Mass410.20
IUPAC Name2-[2-[1,2-bis(4-methylphenyl)ethenyl]phenyl]naphthalene
SMILESCc1ccc(C=C(c2ccc(C)cc2)c2ccccc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C32H26/c1-23-11-15-25(16-12-23)21-32(27-17-13-24(2)14-18-27)31-10-6-5-9-30(31)29-20-19-26-7-3-4-8-28(26)22-29/h3-22H,1-2H3
InChIKeyUATZBLOKMODNIH-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1,2-bis(4-methylphenyl)ethenyl]phenyl]naphthalene?
The IUPAC name of 2-[2-[1,2-bis(4-methylphenyl)ethenyl]phenyl]naphthalene (CID 91510166) is 2-[2-[1,2-bis(4-methylphenyl)ethenyl]phenyl]naphthalene.
What is the SMILES notation for 2-[2-[1,2-bis(4-methylphenyl)ethenyl]phenyl]naphthalene?
The canonical SMILES for 2-[2-[1,2-bis(4-methylphenyl)ethenyl]phenyl]naphthalene is Cc1ccc(C=C(c2ccc(C)cc2)c2ccccc2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[2-[1,2-bis(4-methylphenyl)ethenyl]phenyl]naphthalene?
The InChIKey is UATZBLOKMODNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26/c1-23-11-15-25(16-12-23)21-32(27-17-13-24(2)14-18-27)31-10-6-5-9-30(31)29-20-19-26-7-3-4-8-28(26)22-29/h3-22H,1-2H3.
What are the key properties of 2-[2-[1,2-bis(4-methylphenyl)ethenyl]phenyl]naphthalene?
2-[2-[1,2-bis(4-methylphenyl)ethenyl]phenyl]naphthalene has a molecular weight of 410.56 g/mol, XLogP of 8.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1,2-bis(4-methylphenyl)ethenyl]phenyl]naphthalene is sourced from PubChem (CID 91510166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).